Name: Name:1-Phenylpentane-1,4-dione
Brand: Angene
SKU: AG003ELM
Rating: 90 (10 reviews)

1-Phenylpentane-1,4-dione

CAS No.:

583-05-1

Catalog Number:

AG003ELM

Molecular Formula:

C11H12O2

Molecular Weight:

176.2118

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG003ELM

Chemical Name:

1-Phenylpentane-1,4-dione

CAS Number:

583-05-1

Molecular Formula:

C11H12O2

Molecular Weight:

176.2118

MDL Number:

MFCD00092889

IUPAC Name:

1-phenylpentane-1,4-dione

InChI:

InChI=1S/C11H12O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChI Key:

RBLXWIPBPPVLPU-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1)CCC(=O)C

Properties

Complexity:

190

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.215g/mol

Monoisotopic Mass:

176.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.	Journal of medicinal chemistry 20050421

Properties